C260-1450 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

C260-1450 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide
C260-1450 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1450
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C260-1450

Molecular Formula

C31H35N3O5 (C31 H35 N3 O5)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-5-{1-[(3-methylphenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}pentanamide

SMILES

Cc1cccc(CN(c(cccc2)c2C(N2CCCCC(NCCc(cc3)cc(OC)c3OC)=O)=O)C2=O)c1

InChI

InChI=1S/C31H35N3O5/c1-22-9-8-10-24(19-22)21-34-26-12-5-4-11-25(26)30(36)33(31(34)37)18-7-6-13-29(35)32-17-16-23-14-15-27(38-2)28(20-23)39-3/h4-5,8-12,14-15,19-20H,6-7,13,16-18,21H2,1-3H3,(H,32,35)

InChI Key

PUXPHFHDJAGMHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.711

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-3.97

Polar Surface Area

70.819

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

C260-1450 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C260-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1450?
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What is the minimum amount of C260-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1450
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C260-1450 available by request